SCHEMBL3077916

SCHEMBL3077916

N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H]([C]=O)CCC(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERAP2 Q6P179 4/20 0.56
CTSC P53634 5/20 0.55
IL1RN P18510 3/20 0.51
ERAP1 Q9NZ08 2/20 0.51
MMP1 P03956 4/20 0.51
MMP9 P14780 3/20 0.51
MMP8 P22894 3/20 0.51
MMP2 P08253 2/20 0.51
MMP3 P08254 2/20 0.50
ACE P12821 2/20 0.50
KDM4E B2RXH2 1/20 0.50
MEN1 O00255 1/20 0.50
LMNA P02545 1/20 0.50
MPO P05164 1/20 0.50
MAPT P10636 1/20 0.50
TSHR P16473 1/20 0.50
BLM P54132 1/20 0.50
PMP22 Q01453 1/20 0.50
KMT2A Q03164 1/20 0.50
HIF1A Q16665 1/20 0.50

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2191649 0.96 ERAP2 (0.53) ERAP2CTSCIL1RNERAP1MMP1
SCHEMBL2183463 0.92 CTSC (0.61) ERAP2CTSCIL1RNERAP1MMP1
SCHEMBL1652403 0.91 KDM4E (0.58) ERAP2CTSCIL1RNERAP1ACE
SCHEMBL3187724 0.89 ERAP2 (0.55) ERAP2CTSCIL1RNERAP1MMP1
SCHEMBL3187737 0.89 ERAP2 (0.55) ERAP2CTSCIL1RNERAP1MMP1
SCHEMBL31483276 0.89 ERAP2 (0.69) ERAP2ACEKDM4EMEN1LMNA
SCHEMBL1650372 0.89 ERAP2 (0.51) ERAP2CTSCIL1RNERAP1MMP9
SCHEMBL29350328 0.88 ERAP2 (0.65) ERAP2IL1RNERAP1ACEKDM4E
Oglufanide SCHEMBL27879986 0.88 ERAP2 (0.67) ERAP2ACEKDM4EMEN1LMNA
SCHEMBL2197039 0.88 ERAP2 (0.61) ERAP2IL1RNERAP1MMP1MMP9

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7790905-B2 Pharmaceutical propylene glycol solvate compositions MCNEIL-PPC, INC. (US) 2010-09-07 US disclosed